Re: GB tutorial

From: David A. Case <>
Date: Thu 26 Sep 2002 08:31:19 -0700

On Wed, Sep 25, 2002, eric hu wrote:

> Dr. Case, in your gb tutorial at
> website you do not have ntr=1 (instead you have
> ntx=1)in the restrained minimization input section.
> When I add ntr=1, amber produces an error: Unit 10
> Error on OPEN: refc
> Can you explain why this is? Thanks.

First, please don't send Amber related questions to me personally. Use
the reflector, <>. That way many people can see your
question. I didn't write the gb tutorial, so I am not the correct person
to ask, anyway.

Alexey: can you look at the input files.

The "refc" refers to restraint coords. See p. 83 of the Users' Manual.


David A. Case                     |  e-mail:
Dept. of Molecular Biology, TPC15 |  fax:          +1-858-784-8896
The Scripps Research Institute    |  phone:        +1-858-784-9768
10550 N. Torrey Pines Rd.         |  home page:                   
La Jolla CA 92037  USA            |
Received on Thu Sep 26 2002 - 08:31:19 PDT
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